N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide

C13H24N2O2 — CID 130272224

IUPACN-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCC(C)N1CC[C@@H](NC(=O)C2CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)15-6-3-12(9-15)14-13(16)11-4-7-17-8-5-11/h10-12H,3-9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyNGDVVUJRUZUHSZ-GFCCVEGCSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds3

About N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide

N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 130272224) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID130272224
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESCC(C)N1CC[C@@H](NC(=O)C2CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)15-6-3-12(9-15)14-13(16)11-4-7-17-8-5-11/h10-12H,3-9H2,1-2H3,(H,14,16)/t12-/m1/s1
InChIKeyNGDVVUJRUZUHSZ-GFCCVEGCSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide (CID 130272224) is N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide is CC(C)N1CC[C@@H](NC(=O)C2CCOCC2)C1.
What is the InChIKey of N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is NGDVVUJRUZUHSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)15-6-3-12(9-15)14-13(16)11-4-7-17-8-5-11/h10-12H,3-9H2,1-2H3,(H,14,16)/t12-/m1/s1.
What are the key properties of N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 130272224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).